12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

C125H70N10OS9 — CID 157141152

About 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (PubChem CID 157141152) has the molecular formula C125H70N10OS9 and a molecular weight of 2016.61 g/mol. Its IUPAC name is 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
• PubChem CID: 157141152
• Molecular Formula: C125H70N10OS9
• Molecular Weight: 2016.61 g/mol
• Exact Mass: 2014.32
• IUPAC Name: 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
• SMILES: c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ncsc2c1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ocnc2c1.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2ncsc2c1.c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccc4ncsc4c3)c12.c1ccc2c(c1)sc1ccc3c4ccccc4n(-c4ccc5ncsc5c4)c3c12
• InChI: InChI=1S/C25H14N2OS.4C25H14N2S2/c1-3-7-20-18(6-1)24-21(27(20)15-9-12-22-19(13-15)26-14-28-22)11-10-17-16-5-2-4-8-23(16)29-25(17)24;1-3-7-20-18(6-1)24-21(27(20)15-9-11-19-23(13-15)28-14-26-19)12-10-17-16-5-2-4-8-22(16)29-25(17)24;1-3-7-20-16(5-1)17-10-12-22-24(18-6-2-4-8-21(18)29-22)25(17)27(20)15-9-11-19-23(13-15)28-14-26-19;1-3-7-21-16(5-1)18-12-19-17-6-2-4-8-23(17)29-24(19)13-22(18)27(21)15-9-10-20-25(11-15)28-14-26-20;1-3-7-19-16(5-1)24-20(27(19)15-9-10-18-23(13-15)28-14-26-18)11-12-22-25(24)17-6-2-4-8-21(17)29-22/h5*1-14H
• InChIKey: AKEWQQILHRPOCI-UHFFFAOYSA-N
• XLogP: 38.34
• TPSA: 102.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.61
LogP ≤ 5	38.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?

The IUPAC name of 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (CID 157141152) is 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.

What is the SMILES notation for 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?

The canonical SMILES for 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ncsc2c1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ocnc2c1.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2ncsc2c1.c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccc4ncsc4c3)c12.c1ccc2c(c1)sc1ccc3c4ccccc4n(-c4ccc5ncsc5c4)c3c12.

What is the InChIKey of 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?

The InChIKey is AKEWQQILHRPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS.4C25H14N2S2/c1-3-7-20-18(6-1)24-21(27(20)15-9-12-22-19(13-15)26-14-28-22)11-10-17-16-5-2-4-8-23(16)29-25(17)24;1-3-7-20-18(6-1)24-21(27(20)15-9-11-19-23(13-15)28-14-26-19)12-10-17-16-5-2-4-8-22(16)29-25(17)24;1-3-7-20-16(5-1)17-10-12-22-24(18-6-2-4-8-21(18)29-22)25(17)27(20)15-9-11-19-23(13-15)28-14-26-19;1-3-7-21-16(5-1)18-12-19-17-6-2-4-8-23(17)29-24(19)13-22(18)27(21)15-9-10-20-25(11-15)28-14-26-20;1-3-7-19-16(5-1)24-20(27(19)15-9-10-18-23(13-15)28-14-26-18)11-12-22-25(24)17-6-2-4-8-21(17)29-22/h5*1-14H.

What are the key properties of 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?

12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole has a molecular weight of 2016.61 g/mol, XLogP of 38.34, 5 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1,3-benzothiazol-6-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1,3-benzothiazol-6-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 157141152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).